SCHEMBL9018486

SCHEMBL9018486

CCC(CC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)CC3CCCCC3)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
BLM P54132 2/20 0.42
HTR1A P08908 1/20 0.42
NFKB1 P19838 1/20 0.42
CNR1 P21554 1/20 0.42
ADRA1A P35348 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 1/20 0.42
ABCC8 Q09428 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
MEN1 O00255 1/20 0.37
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37
ABCC9 O60706 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9018188 0.93 LMNA (0.42) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9018367 0.93 LMNA (0.42) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9018101 0.92 EPHX2 (0.43) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9018046 0.92 EPHX2 (0.46) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9018250 0.92 EPHX2 (0.43) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9018170 0.90 LMNA (0.46) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9018074 0.89 MAPT (0.45) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9018211 0.86 ALDH1A1 (0.46) LMNAALDH1A1OPRM1OPRD1OPRK1
SCHEMBL9018138 0.86 ACACB (0.44) LMNASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL9018081 0.86 LMNA (0.39) LMNACYP3A4CYP2C9CYP2C19SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0590520-B1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AG (DE) 1996-06-12 EP disclosed
EP-0590520-A1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP disclosed